4-[5-[4-[(3-fluoro-2-pyridinyl)methyl]-4-hydroxypiperidin-1-yl]pyrazin-2-yl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile

C29H31FN8O3 — CID 134436384

About 4-[5-[4-[(3-fluoro-2-pyridinyl)methyl]-4-hydroxypiperidin-1-yl]pyrazin-2-yl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[5-[4-[(3-fluoro-2-pyridinyl)methyl]-4-hydroxypiperidin-1-yl]pyrazin-2-yl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134436384) has the molecular formula C29H31FN8O3 and a molecular weight of 558.62 g/mol. Its IUPAC name is 4-[5-[4-[(3-fluoro-2-pyridinyl)methyl]-4-hydroxypiperidin-1-yl]pyrazin-2-yl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 4-[5-[4-[(3-fluoro-2-pyridinyl)methyl]-4-hydroxypiperidin-1-yl]pyrazin-2-yl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 134436384
• Molecular Formula: C29H31FN8O3
• Molecular Weight: 558.62 g/mol
• Exact Mass: 558.25
• IUPAC Name: 4-[5-[4-[(3-fluoro-2-pyridinyl)methyl]-4-hydroxypiperidin-1-yl]pyrazin-2-yl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: N#Cc1cnn2cc(OCCN3CCOCC3)cc(-c3cnc(N4CCC(O)(Cc5ncccc5F)CC4)cn3)c12
• InChI: InChI=1S/C29H31FN8O3/c30-24-2-1-5-32-25(24)15-29(39)3-6-37(7-4-29)27-19-33-26(18-34-27)23-14-22(20-38-28(23)21(16-31)17-35-38)41-13-10-36-8-11-40-12-9-36/h1-2,5,14,17-20,39H,3-4,6-13,15H2
• InChIKey: CAJBRWQJMROVRU-UHFFFAOYSA-N
• XLogP: 2.48
• TPSA: 124.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	558.62
LogP ≤ 5	2.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-[(3-fluoro-2-pyridinyl)methyl]-4-hydroxypiperidin-1-yl]pyrazin-2-yl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 4-[5-[4-[(3-fluoro-2-pyridinyl)methyl]-4-hydroxypiperidin-1-yl]pyrazin-2-yl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134436384) is 4-[5-[4-[(3-fluoro-2-pyridinyl)methyl]-4-hydroxypiperidin-1-yl]pyrazin-2-yl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 4-[5-[4-[(3-fluoro-2-pyridinyl)methyl]-4-hydroxypiperidin-1-yl]pyrazin-2-yl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 4-[5-[4-[(3-fluoro-2-pyridinyl)methyl]-4-hydroxypiperidin-1-yl]pyrazin-2-yl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile is N#Cc1cnn2cc(OCCN3CCOCC3)cc(-c3cnc(N4CCC(O)(Cc5ncccc5F)CC4)cn3)c12.

What is the InChIKey of 4-[5-[4-[(3-fluoro-2-pyridinyl)methyl]-4-hydroxypiperidin-1-yl]pyrazin-2-yl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is CAJBRWQJMROVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31FN8O3/c30-24-2-1-5-32-25(24)15-29(39)3-6-37(7-4-29)27-19-33-26(18-34-27)23-14-22(20-38-28(23)21(16-31)17-35-38)41-13-10-36-8-11-40-12-9-36/h1-2,5,14,17-20,39H,3-4,6-13,15H2.

What are the key properties of 4-[5-[4-[(3-fluoro-2-pyridinyl)methyl]-4-hydroxypiperidin-1-yl]pyrazin-2-yl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?

4-[5-[4-[(3-fluoro-2-pyridinyl)methyl]-4-hydroxypiperidin-1-yl]pyrazin-2-yl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 558.62 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-[4-[(3-fluoro-2-pyridinyl)methyl]-4-hydroxypiperidin-1-yl]pyrazin-2-yl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134436384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).